(2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone
TL;DR: (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone (CAS 50508-66-2) is a chemical compound with molecular formula C13H12ClNOS and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-4,5-dimethylthiophen-3-yl)-(4-chlorophenyl)methanone
Also Known As: (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone, 2-AMino-3-(p-chlorobenzoyl)-4,5-diMethylthiophene, Maybridge3_006774, YSZC336, 2852AH
| Molecular Formula | C13H12ClNOS |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0328 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 50508-66-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)C2=CC=C(C=C2)Cl)N)C |
| InChIKey | FZCFEGHYRWGCEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone (CAS 50508-66-2), with molecular formula C13H12ClNOS and molecular weight 265.03 g/mol. IUPAC: (2-amino-4,5-dimethylthiophen-3-yl)-(4-chlorophenyl)methanone.
Chemical Property Profile of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone
Property Insights of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone
The XLogP value of 4.5 indicates that (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone. Following Lipinski's Rule of Five, (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone?
The CAS number of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone is 50508-66-2.
What is the molecular formula of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone?
The molecular formula of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone is C13H12ClNOS.
What is the molecular weight of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone?
The molecular weight of (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone is 265.03 g/mol.
Where can I buy (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone?
You can request a quote for (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.